input word = C00000501

Metabolite InformationStructural formula
Name Perovskone
Formula C30H42O3
Mw 450.31339521
CAS RN 142132-39-6
C_ID C00000501 ,
InChIKey DVCBBGWACDEUAQ-NRWPDTPENA-N
InChICode InChI=1S/C30H42O3/c1-17(2)22-23(31)27-13-9-18(3)19-15-21-26(6,7)32-24(22)30(21)29(19,27)16-28(33-30)12-8-11-25(4,5)20(28)10-14-27/h9,17,19-21H,8,10-16H2,1-7H3/t19-,20-,21+,27+,28-,29-,30-/m0/s1
SMILES C1CC([C@H]2[C@@]3(C1)O[C@]14[C@]5(C3)[C@]3(CC2)C(=O)C(=C1OC([C@H]4C[C@H]5C(=CC3)C)(C)C)C(C)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataePerovskia abrotanoides Ref.
zoom in



OrganismPerovskia abrotanoides
ReferenceParvez,J.Org.Chem,57,(1992),4339